2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene

C18H20O4 — CID 10924571

IUPAC2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene
SMILESCOc1cccc2c1OC(OC)(c1ccccc1)CC2OC
InChIInChI=1S/C18H20O4/c1-19-15-11-7-10-14-16(20-2)12-18(21-3,22-17(14)15)13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3
InChIKeyRJAIGPHWLWUQSG-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.66
Rot. Bonds4

About 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene

2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene (PubChem CID 10924571) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene.

Molecular Properties

Compound Name2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene
PubChem CID10924571
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene
SMILESCOc1cccc2c1OC(OC)(c1ccccc1)CC2OC
InChIInChI=1S/C18H20O4/c1-19-15-11-7-10-14-16(20-2)12-18(21-3,22-17(14)15)13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3
InChIKeyRJAIGPHWLWUQSG-UHFFFAOYSA-N
XLogP3.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene?
The IUPAC name of 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene (CID 10924571) is 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene.
What is the SMILES notation for 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene?
The canonical SMILES for 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene is COc1cccc2c1OC(OC)(c1ccccc1)CC2OC.
What is the InChIKey of 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene?
The InChIKey is RJAIGPHWLWUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-19-15-11-7-10-14-16(20-2)12-18(21-3,22-17(14)15)13-8-5-4-6-9-13/h4-11,16H,12H2,1-3H3.
What are the key properties of 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene?
2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene has a molecular weight of 300.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,8-trimethoxy-2-phenyl-3,4-dihydrochromene is sourced from PubChem (CID 10924571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).